Vitas-M small molecule compound

dimethyl 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK012733
SMILES COC(=O)C1=CN(Cc2cccs2)C=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H18F3NO4S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3
InChIKey
QZEIOFYKJGHXGF-UHFFFAOYSA-N
Synonyms

35DIMETHYL1(THIOPHEN2YLMETHYL)4(4(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)CC3=CC=CS3
COC(=O)C1=CN(Cc2cccs2)C=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC
DIMETHYL1(THIOPHEN2YLMETHYL)4(4(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIMETHYL1(THIOPHEN2YLMETHYL)4(4(TRIFLUOROMETHYL)PHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC21H18F3NO4Sc12819(26)161125(10154393015)1217(20(27)292)18(16)135714(8613)21(2223)24h39111218H10H212H3
METHYL5(METHOXYCARBONYL)1(2THIENYLMETHYL)4(4(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02105280
STK012733
ZINC000000718633
ZINC00718633
ZINC718633

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.